Information card for entry 1516009

Structure parameters

• Formula: C15 H20 O5
• Calculated formula: C15 H20 O5
• SMILES: O1[C@]23CC[C@@](O)([C@@H]2CC2=C(C(=O)O[C@]12C[C@]3(O)C)C)C
• Title of publication: Guaiane-type sesquiterpenes from Curcuma phaeocaulis and their inhibitory effects on nitric oxide production.
• Authors of publication: Liu, Yue; Ma, JiangHao; Zhao, Qian; Liao, ChunRu; Ding, LiQin; Chen, LiXia; Zhao, Feng; Qiu, Feng
• Journal of publication: Journal of natural products
• Year of publication: 2013
• Journal volume: 76
• Journal issue: 6
• Pages of publication: 1150 - 1156
• a: 7.2956 ± 0.0015 Å
• b: 10.729 ± 0.002 Å
• c: 18.181 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1423.1 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No